Geometry & MOs

Info

ID:	135891
PubChem CID:	51952758
Reduced:	O2N3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	348.174573
ΔH_f, kcal/mol:	-82.44
Dipole, Da:	6.14
IP(EA), eV:	-8.89(0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]urea

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)C(=O)CN2CC3=CC=CC=C3C[C@@H]2C(=O)N4CCCC4

DOS

IR

Vibrations